3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide

C13H15N3OS — CID 113466186

IUPAC3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESC/C=C/CCNC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C13H15N3OS/c1-2-3-4-6-16-13(17)12-11(14)9-5-7-15-8-10(9)18-12/h2-3,5,7-8H,4,6,14H2,1H3,(H,16,17)/b3-2+
InChIKeyHDNDSNZVXNQQOJ-NSCUHMNNSA-N
MW261.35 g/mol
LogP2.57
Rot. Bonds4

About 3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide

3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 113466186) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID113466186
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESC/C=C/CCNC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C13H15N3OS/c1-2-3-4-6-16-13(17)12-11(14)9-5-7-15-8-10(9)18-12/h2-3,5,7-8H,4,6,14H2,1H3,(H,16,17)/b3-2+
InChIKeyHDNDSNZVXNQQOJ-NSCUHMNNSA-N
XLogP2.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
CID 113269830
3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106410277
3-amino-N-(2-thiophen-2-ylethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289113
3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114619385
3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289295
3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 82947525
3-amino-N-(5-hydroxy-4-methylpentyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106162924
3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide
CID 106311389
3-amino-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289134
3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106433595
3-amino-N-tert-butylthieno[2,3-c]pyridine-2-carboxamide
CID 113269822
3-amino-N',N'-dimethylthieno[2,3-c]pyridine-2-carbohydrazide
CID 83024926

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide (CID 113466186) is 3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide is C/C=C/CCNC(=O)c1sc2cnccc2c1N.
What is the InChIKey of 3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is HDNDSNZVXNQQOJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-2-3-4-6-16-13(17)12-11(14)9-5-7-15-8-10(9)18-12/h2-3,5,7-8H,4,6,14H2,1H3,(H,16,17)/b3-2+.
What are the key properties of 3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide?
3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 113466186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).